2-[(4-azanyl-1-bromanyl-[1]benzothiolo[3,2-c]pyridin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(4-azanyl-1-bromanyl-[1]benzothiolo[3,2-c]pyridin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-amino-1-bromo-benzothiopheno[3,2-c]pyridine-3-carbonyl)amino]acetic acid CAS Name: 2-[[(4-amino-1-bromo-[1]benzothiolo[3,2-c]pyridin-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-amino-1-bromo-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid Traditional Name: 2-[(4-amino-1-bromo-benzothiopheno[3,2-c]pyridine-3-carbonyl)amino]acetic acid Formula: C14H10BrN3O3S MolecularWeight: 380.2165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=C(N=C3Br)C(=O)NCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=C(N=C3Br)C(=O)NCC(=O)O)N

InChI

InChI=1S/C14H10BrN3O3S/c15-13-9-6-3-1-2-4-7(6)22-12(9)10(16)11(18-13)14(21)17-5-8(19)20/h1-4H,5,16H2,(H,17,21)(H,19,20)